Drug discovery using chemical systems biology: Weak inhibition of multiple kinases may contribute to the anti-cancer effect of nelfinavir

PLoS Computational Biology

Volumn 7, Issue 4, 2011, Pages

  Xie, Li ^a   Evangelidis, Thomas ^b   Xie, Lei ^a,c   Bourne, Philip E ^a  

^a UNIVERSITY OF CALIFORNIA SAN DIEGO   (United States)

^b UNIVERSITY OF MANCHESTER   (United Kingdom)

^c CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; BIOINFORMATICS; DISEASES; ENZYME INHIBITION; FREE ENERGY; MOLECULAR DYNAMICS; PATHOLOGY;

CANCER CELLS; CHEMICAL SYSTEMS; DRUG DISCOVERY; DYNAMICS SIMULATION; HIV-PROTEASE INHIBITORS; MOLECULAR TARGETS; MULTIPLE KINASE; PLEIOTROPIC EFFECTS; SIGNALLING PATHWAYS; SYSTEMS BIOLOGY;

CANCER CELLS;

EPIDERMAL GROWTH FACTOR RECEPTOR; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITOR; IMMUNOGLOBULIN ENHANCER BINDING PROTEIN; INDINAVIR; JANUS KINASE; MAMMALIAN TARGET OF RAPAMYCIN; MITOGEN ACTIVATED PROTEIN KINASE; NELFINAVIR; PHOSPHOTRANSFERASE; PROTEIN KINASE; PROTEIN KINASE B; PROTEOME; SAQUINAVIR; ANTINEOPLASTIC AGENT; PROTEIN KINASE INHIBITOR;

ANTINEOPLASTIC ACTIVITY; ARTICLE; BINDING AFFINITY; COMPUTER SIMULATION; DRUG BINDING SITE; DRUG EFFECT; DRUG POTENCY; DRUG PROTEIN BINDING; DRUG TARGETING; ENZYME ACTIVITY; ENZYME INHIBITION; ENZYME REGULATION; HUMAN; LIGAND BINDING; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; PROCESS DEVELOPMENT; SIGNAL TRANSDUCTION; STRUCTURAL PROTEOMICS; SYSTEMS BIOLOGY; UPREGULATION; BINDING SITE; CHEMISTRY; DRUG DEVELOPMENT; DRUG INTERACTION; METABOLISM; METHODOLOGY; PROTEIN BINDING; THERMODYNAMICS;

ANTINEOPLASTIC AGENTS; BINDING SITES; DRUG DISCOVERY; DRUG INTERACTIONS; HUMANS; MOLECULAR DYNAMICS SIMULATION; NELFINAVIR; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PROTEIN KINASES; SYSTEMS BIOLOGY; THERMODYNAMICS;

EID: 79955562721     PISSN: 1553734X     EISSN: 15537358     Source Type: Journal    
DOI: 10.1371/journal.pcbi.1002037     Document Type: Article

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